UCSF

ZINC40086859

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.22 12.63 -52.22 3 5 1 63 428.556 6

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Analogs ( Draw Identity 99% 90% 80% 70% )